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SMILES: Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23

InChI Key: InChIKey=OXKSCZRCMSYMHX-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 61021   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61021
PNG
(MLS000551367 | N-[2-(4-p-toluoylpiperazino)acenaph...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C30H29N3O3S/c1-21-13-15-23(16-14-21)30(34)33-19-17-32(18-20-33)29-26-12-6-8-22-7-5-11-25(27(22)26)28(29)31-37(35,36)24-9-3-2-4-10-24/h2-16,28-29,31H,17-20H2,1H3
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PCBioAssay
n/an/an/an/a 3.68E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM61021
PNG
(MLS000551367 | N-[2-(4-p-toluoylpiperazino)acenaph...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C30H29N3O3S/c1-21-13-15-23(16-14-21)30(34)33-19-17-32(18-20-33)29-26-12-6-8-22-7-5-11-25(27(22)26)28(29)31-37(35,36)24-9-3-2-4-10-24/h2-16,28-29,31H,17-20H2,1H3
PDB
MMDB

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PCBioAssay
n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q21J98DJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM61021
PNG
(MLS000551367 | N-[2-(4-p-toluoylpiperazino)acenaph...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C30H29N3O3S/c1-21-13-15-23(16-14-21)30(34)33-19-17-32(18-20-33)29-26-12-6-8-22-7-5-11-25(27(22)26)28(29)31-37(35,36)24-9-3-2-4-10-24/h2-16,28-29,31H,17-20H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair